General Information of the Compound
| Compound ID |
CP0713490
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| Compound Name |
2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)acetonitrile
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| Structure |
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| Formula |
C17H18N8O2
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| Molecular Weight |
366.385
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC#N)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H18N8O2/c1-12-13(16(27)23-9-7-22(6-4-18)8-10-23)11-19-25(12)17-20-15(26)14-3-2-5-24(14)21-17/h2-3,5,11H,6-10H2,1H3,(H,20,21,26)
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| InChIKey |
PHVPOWLVFISQFA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound